3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine

C31H31N5O — CID 56592108

IUPAC3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccccc4)c4c(C)cccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C31H31N5O/c1-21-8-6-12-26-31(21)36(24-10-4-3-5-11-24)30-19-28(33-22-13-15-25(37-2)16-14-22)27(18-29(30)35-26)34-23-9-7-17-32-20-23/h3-12,17-20,22,25,34H,13-16H2,1-2H3/b33-28+
InChIKeyQPMLYLCLGKJXPW-PJJLUWSFSA-N
MW489.62 g/mol
LogP6.44
Rot. Bonds5

About 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine

3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592108) has the molecular formula C31H31N5O and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592108
Molecular FormulaC31H31N5O
Molecular Weight489.62 g/mol
Exact Mass489.25
IUPAC Name3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccccc4)c4c(C)cccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C31H31N5O/c1-21-8-6-12-26-31(21)36(24-10-4-3-5-11-24)30-19-28(33-22-13-15-25(37-2)16-14-22)27(18-29(30)35-26)34-23-9-7-17-32-20-23/h3-12,17-20,22,25,34H,13-16H2,1-2H3/b33-28+
InChIKeyQPMLYLCLGKJXPW-PJJLUWSFSA-N
XLogP6.44
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine (CID 56592108) is 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccccc4)c4c(C)cccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is QPMLYLCLGKJXPW-PJJLUWSFSA-N. The full InChI is InChI=1S/C31H31N5O/c1-21-8-6-12-26-31(21)36(24-10-4-3-5-11-24)30-19-28(33-22-13-15-25(37-2)16-14-22)27(18-29(30)35-26)34-23-9-7-17-32-20-23/h3-12,17-20,22,25,34H,13-16H2,1-2H3/b33-28+.
What are the key properties of 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 489.62 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).